N-[2,6-bis(chloranyl)phenyl]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2,6-dichlorophenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2,6-dichlorophenyl)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2,6-dichlorophenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2,6-dichlorophenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H20Cl2N3O3S2+ MolecularWeight: 449.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CC=C2Cl)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19Cl2N3O3S2/c18-13-3-1-4-14(19)17(13)20-15(23)6-7-21-8-10-22(11-9-21)27(24,25)16-5-2-12-26-16/h1-5,12H,6-11H2,(H,20,23)/p+1